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ASINEX-ZINC00351013

 MMsINC code: MMs00122610
Type: Neutral
Formula: C9H14N2O5
SMILES:   O(C(=O)C)C1N(C)C(=O)N(C)C1OC(=O)C
InChI:   InChI=1/C9H14N2O5/c1-5(12)15-7-8(16-6(2)13)11(4)9(14)10(7)3/h7-8H,1-4H3/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=15.6269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.22 g/mol  logS: -0.13371  SlogP: -0.238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133695  Sterimol/B1: 2.45681  Sterimol/B2: 2.79147  Sterimol/B3: 4.46888
  Sterimol/B4: 6.71875  Sterimol/L: 12.5617 
 
 Surface and Volume Properties
  Accessible surface: 442.75  Positive charged surface: 312.932  Negative charged surface: 129.818  Volume: 204.375
  Hydrophobic surface: 330.523  Hydrophilic surface: 112.227
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.